3MC1
Crystal structure of a predicted phosphatase from Clostridium acetobutylicum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-03-21 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9790 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.938, 53.524, 64.182 |
| Unit cell angles | 90.00, 97.10, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.930 |
| R-factor | 0.245 |
| Rwork | 0.224 |
| R-free | 0.27200 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHARP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.000 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Rmerge | 0.075 | 0.306 |
| Number of reflections | 32453 | |
| <I/σ(I)> | 13.8 | 5.9 |
| Completeness [%] | 99.0 | 89.9 |
| Redundancy | 7.4 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 291 | 25% PEG 3350; 0.1M BisTris pH 5.5; 0.2M NaCl and Dimethyl sulfoxide, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
